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CHEBI:176272 - Phytolaccoside A

Default Structure
ChEBI IDCHEBI:176272
ChEBI NamePhytolaccoside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56O10
Net Charge0
Average Mass648.834
Monoisotopic Mass648.38735
SMILESCOC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
InChIInChI=1S/C36H56O10/c1-31(30(43)44-6)13-15-36(29(41)42)16-14-34(4)20(21(36)17-31)7-8-24-32(2)11-10-25(46-28-27(40)26(39)22(38)18-45-28)33(3,19-37)23(32)9-12-35(24,34)5/h7,21-28,37-40H,8-19H2,1-6H3,(H,41,42)
InChIKeyNSIBODJHRJTEFG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Phytolaccoside A (CHEBI:176272) is a triterpenoid (CHEBI:36615)
IUPAC Name 
9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Manual XrefsDatabases
HMDB0034642HMDB